Recent advances of molecular dynamics simulations in nanotribology

To improve the efficiency of a machinery component, it is necessary to enhance the quality of lubricants. Lubricants help to reduce the friction and wear between the two surfaces which are in relative motion. The study of friction and wear covers in the field of tribology. Recently tribological behavior has been studied in micro and nanoscale. Nanotribology deals with the study friction, adhesion, wear and lubrication of metal crystal, analyze dynamics and single asperity contacts during sliding, formation and propagation of voids, fracture and nucleation and motion of dislocations properties at atomic level and also study the interfacial properties between the two surfaces. The expensive nanotribological experimental studies and limited availability of experimental facility, motivates researchers to use simulation approach. Molecular Dynamic (MD) simulation facilitate to analysis at molecular level and nanoscale. Present review paper is elucidating the application ofMDsimulations in the field of Nanotribology. In addition, this study provides utter knowledge about the LAMMPS commands and also confabulate the capabilities of MD simulation in nanotribology area. This review paper is fully dedicated to all those readers who are fascinated to do research in field of nanotribology using molecular dynamics simulation in nanotribology with LAMMPS. (C) 2021 Elsevier B.V. All rights reserved.

Automated summary

Improving lubricant quality is crucial to enhance the efficiency of machinery components. The study of nanotribology focuses on friction behavior at micro and nanoscale. Molecular Dynamic simulation has become a popular approach for analyzing tribological properties at molecular level and nanoscale.